1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid

C22H23NO5 — CID 119250951

IUPAC1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(O)(C(=O)O)CC2)cc1C
InChIInChI=1S/C22H23NO5/c1-14-7-8-16(13-15(14)2)19(24)17-5-3-4-6-18(17)20(25)23-11-9-22(28,10-12-23)21(26)27/h3-8,13,28H,9-12H2,1-2H3,(H,26,27)
InChIKeyGXZXRISIOVLTTC-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119250951) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119250951
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(O)(C(=O)O)CC2)cc1C
InChIInChI=1S/C22H23NO5/c1-14-7-8-16(13-15(14)2)19(24)17-5-3-4-6-18(17)20(25)23-11-9-22(28,10-12-23)21(26)27/h3-8,13,28H,9-12H2,1-2H3,(H,26,27)
InChIKeyGXZXRISIOVLTTC-UHFFFAOYSA-N
XLogP2.59
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
CID 75428699
1-[2-(3,4-dimethylbenzoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353919
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
CID 119580638
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251590
1-(3-bromo-2-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250906
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
4-hydroxy-1-(2-methyl-4-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119252038
(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone
CID 112811513
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119250951) is 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid is Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(O)(C(=O)O)CC2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is GXZXRISIOVLTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14-7-8-16(13-15(14)2)19(24)17-5-3-4-6-18(17)20(25)23-11-9-22(28,10-12-23)21(26)27/h3-8,13,28H,9-12H2,1-2H3,(H,26,27).
What are the key properties of 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119250951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).